2-N,3-N,5,6-tetraphenylpyrazine-2,3-diamine

C28H22N4 — CID 67509217

IUPAC2-N,3-N,5,6-tetraphenylpyrazine-2,3-diamine
SMILESc1ccc(Nc2nc(-c3ccccc3)c(-c3ccccc3)nc2Nc2ccccc2)cc1
InChIInChI=1S/C28H22N4/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)32-28(30-24-19-11-4-12-20-24)27(31-25)29-23-17-9-3-10-18-23/h1-20H,(H,29,31)(H,30,32)
InChIKeyTVSCJGJOEICHLQ-UHFFFAOYSA-N
MW414.51 g/mol
LogP7.30
Rot. Bonds6

About 2-N,3-N,5,6-tetraphenylpyrazine-2,3-diamine

2-N,3-N,5,6-tetraphenylpyrazine-2,3-diamine (PubChem CID 67509217) has the molecular formula C28H22N4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-N,3-N,5,6-tetraphenylpyrazine-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N,5,6-tetraphenylpyrazine-2,3-diamine
PubChem CID67509217
Molecular FormulaC28H22N4
Molecular Weight414.51 g/mol
Exact Mass414.18
IUPAC Name2-N,3-N,5,6-tetraphenylpyrazine-2,3-diamine
SMILESc1ccc(Nc2nc(-c3ccccc3)c(-c3ccccc3)nc2Nc2ccccc2)cc1
InChIInChI=1S/C28H22N4/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)32-28(30-24-19-11-4-12-20-24)27(31-25)29-23-17-9-3-10-18-23/h1-20H,(H,29,31)(H,30,32)
InChIKeyTVSCJGJOEICHLQ-UHFFFAOYSA-N
XLogP7.30
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N,5,6-tetraphenylpyrazine-2,3-diamine?
The IUPAC name of 2-N,3-N,5,6-tetraphenylpyrazine-2,3-diamine (CID 67509217) is 2-N,3-N,5,6-tetraphenylpyrazine-2,3-diamine.
What is the SMILES notation for 2-N,3-N,5,6-tetraphenylpyrazine-2,3-diamine?
The canonical SMILES for 2-N,3-N,5,6-tetraphenylpyrazine-2,3-diamine is c1ccc(Nc2nc(-c3ccccc3)c(-c3ccccc3)nc2Nc2ccccc2)cc1.
What is the InChIKey of 2-N,3-N,5,6-tetraphenylpyrazine-2,3-diamine?
The InChIKey is TVSCJGJOEICHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)32-28(30-24-19-11-4-12-20-24)27(31-25)29-23-17-9-3-10-18-23/h1-20H,(H,29,31)(H,30,32).
What are the key properties of 2-N,3-N,5,6-tetraphenylpyrazine-2,3-diamine?
2-N,3-N,5,6-tetraphenylpyrazine-2,3-diamine has a molecular weight of 414.51 g/mol, XLogP of 7.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,5,6-tetraphenylpyrazine-2,3-diamine is sourced from PubChem (CID 67509217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).